NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a a
CompoundSquamostatin-A
NPACT-IdNPACT00957
IUPAC-
Synonyms-
PubChem Id-
ClassPolyketides
In-vitro anticancer activtiy 5 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyFLRWJNLZFXRNRJ-FCJVWRSDSA-N
InChi1S/C38H68O8/c1-3-4-5-12-16-30(39)17-14-18-31(40)27-33-21-25-37(46-33)35(42)23-22-34(41)36-24-20-32(45-36)19-13-10-8-6-7-9-11-15-29-26-28(2)44-38(29)43/h26,28,30-37,39-42H,3-25,27H2,1-2H3/t28-,30-,31-,32-,33-,34-,35+,36-,37+/m1/s1
SMILESO1[C@@H](CC[C@@H]1[C@@H](CC[C@H](O)[C@@H]1CC[C@@H](O1)C[C@@H](CCC[C@@H](CCCCCC)O)O)O)CCCCCCCCCC1=C[C@H](OC1=O)C
SMART[#6]CCCCC[C@@H](O)CCC[C@@H](O)C[C@H]1CC[C@H](O1)[C@@H](O)CC[C@@H](O)[C@H]1CC[C@@H](CCCCCCCCCC2=C[C@@H]([#6])OC2=O)O1
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers NA, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   No
Veber filter   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






Copyright © 2012. Subhash M. Agagrwal. All Rights Reserved.